C20H15N3O5 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -5.6000 4.8497 0.0000 C 0 0 0 -6.3000 6.0622 0.0000 C 0 0 0 -5.6000 7.2746 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 N 0 3 0 -1.4000 4.8497 0.0000 O 0 5 0 -1.4000 7.2746 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 3 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 17 18 1 17 19 2 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M CHG 2 17 1 18 -1 M END > Z1436757091 > C(C(O)=O)N1C(C=CC=Cc2ccccc2[N+]([O-])=O)=Nc2ccccc2C1=O > 1 > 1 > 1 $$$$ C19H15N3O5 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 N 0 3 0 -1.4000 -2.4249 0.0000 O 0 5 0 0.7000 -3.6373 0.0000 O 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 24 2 1 23 24 2 24 25 1 25 26 1 25 27 2 M CHG 2 25 1 26 -1 M END > Z1436757578 > Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[N+]([O-])=O > 27 > 2 > 1 $$$$ C17H12ClN3O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 N 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 Cl 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436757132 > C(C(O)=O)N1C(C=Cc2ccc(nc2)[Cl])=Nc2ccccc2C1=O > 4 > 3 > 1 $$$$ C18H13ClN2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 Cl 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436757541 > C(C(O)=O)N1C(C=Cc2cccc(c2)[Cl])=Nc2ccccc2C1=O > 23 > 4 > 1 $$$$ C18H13ClN2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 Cl 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436758265 > C(C(O)=O)N1C(C=Cc2ccc(cc2)[Cl])=Nc2ccccc2C1=O > 65 > 5 > 1 $$$$ C18H13ClN2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 0.0000 4.8497 0.0000 Cl 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436757915 > C(C(O)=O)N1C(C=Cc2ccccc2[Cl])=Nc2ccccc2C1=O > 48 > 6 > 1 $$$$ C18H13FN2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436757354 > C(C(O)=O)N1C(C=Cc2cccc(c2)F)=Nc2ccccc2C1=O > 15 > 7 > 1 $$$$ C18H13FN2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436758268 > C(C(O)=O)N1C(C=Cc2ccc(cc2)F)=Nc2ccccc2C1=O > 66 > 8 > 1 $$$$ C19H15FN2O3 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 N 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 0.7000 -8.4870 0.0000 C 0 0 0 0.0000 -9.6995 0.0000 C 0 0 0 -1.4000 -9.6995 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -3.5000 -3.6373 0.0000 C 0 0 0 -4.2000 -4.8497 0.0000 O 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -6.0622 0.0000 O 0 0 0 2.8000 2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 5 6 1 7 2 1 6 7 2 7 8 1 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 4 5 2 4 25 1 M END > Z1436757862 > Cc1cc(ccc1C=CC1=Nc2ccccc2C(N1CC(O)=O)=O)F > 45 > 9 > 1 $$$$ C19H15FN2O3 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 F 0 0 0 1 2 1 2 3 2 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 24 2 1 23 24 2 24 25 1 M END > Z1436758052 > Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1F > 55 > 10 > 1 $$$$ C18H11BrF2N2O3 MOLSOFT 06241911512D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -0.0000 4.8497 0.0000 F 0 0 0 -1.4000 7.2746 0.0000 Br 0 0 0 -4.2000 2.4249 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 11 12 1 12 13 2 14 9 2 14 15 1 13 14 1 13 16 1 10 11 2 10 17 1 6 7 1 6 18 2 18 19 1 19 20 2 20 21 1 21 22 2 22 23 1 24 19 1 23 24 2 25 5 1 24 25 1 25 26 2 M END > Z2111630454 > C(C(O)=O)N1C(C=Cc2c(ccc(c2F)[Br])F)=Nc2ccccc2C1=O > 76 > 11 > 1 $$$$ C18H14N2O4 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 6 7 1 6 16 2 16 17 1 17 18 2 18 19 1 19 20 2 20 21 1 22 17 1 21 22 2 23 5 1 22 23 1 23 24 2 M END > Z1436757163 > C(C(O)=O)N1C(C=Cc2cccc(c2)O)=Nc2ccccc2C1=O > 6 > 12 > 1 $$$$ C19H16N2O3 MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 2 24 2 2 23 24 1 M END > Z1436757547 > Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1 > 24 > 13 > 1 $$$$ C20H18N2O3 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 4 6 1 6 7 2 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 7 8 1 25 2 2 7 25 1 M END > Z1436757850 > Cc1cc(C)cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 42 > 14 > 1 $$$$ C19H13N3O3 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 C 0 0 0 -0.7000 8.4870 0.0000 N 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 15 3 13 14 1 16 9 2 13 16 1 6 7 1 6 17 2 17 18 1 18 19 2 19 20 1 20 21 2 21 22 1 23 18 1 22 23 2 24 5 1 23 24 1 24 25 2 M END > Z1436757622 > C(C(O)=O)N1C(C=Cc2cccc(C#N)c2)=Nc2ccccc2C1=O > 29 > 15 > 1 $$$$ C20H18N2O4 MOLSOFT 06241911512D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 10 2 3 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 18 19 1 20 11 1 20 21 1 21 22 1 22 23 1 22 24 2 19 20 1 19 25 2 8 9 1 26 4 2 8 26 1 M END > Z1436758246 > COCc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 64 > 16 > 1 $$$$ C20H17N3O4 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 1 2 1 3 4 1 4 5 1 5 6 2 6 7 1 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 7 8 1 7 25 2 26 4 2 25 26 1 2 3 1 2 27 2 M END > Z1436757531 > CC(Nc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1)=O > 22 > 17 > 1 $$$$ C20H16N2O4 MOLSOFT 06241911512D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -3.9326 7.3937 0.0000 C 0 0 0 -2.8000 8.2166 0.0000 O 0 0 0 -1.6674 7.3937 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 1 13 14 1 14 15 1 16 12 2 15 16 1 17 9 2 16 17 1 6 7 1 6 18 2 18 19 1 19 20 2 20 21 1 21 22 2 22 23 1 24 19 1 23 24 2 25 5 1 24 25 1 25 26 2 M END > Z1436757748 > C(C(O)=O)N1C(C=Cc2ccc3COCc3c2)=Nc2ccccc2C1=O > 38 > 18 > 1 $$$$ C23H18N2O4 MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 18 9 1 18 19 1 19 20 1 20 21 1 20 22 2 17 18 1 17 23 2 6 7 1 6 24 1 24 25 2 25 26 1 26 27 2 27 28 1 29 3 1 29 24 1 28 29 2 M END > Z1436757245 > COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c2ccccc12 > 9 > 19 > 1 $$$$ C20H18N2O6 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2.8000 -2.4249 0.0000 O 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 23 24 2 25 3 2 25 26 1 24 25 1 24 27 1 27 28 1 M END > Z1436757761 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(c1O)OC > 39 > 20 > 1 $$$$ C19H16N2O4 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 5 6 1 6 7 2 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 7 8 1 25 3 2 7 25 1 M END > Z1436757917 > COc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 49 > 21 > 1 $$$$ C19H15BrN2O5 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 4.2000 -0.0000 0.0000 Br 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 2 25 3 1 24 25 2 25 26 1 23 24 1 23 27 1 M END > Z1436758017 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c(cc1O)[Br] > 52 > 22 > 1 $$$$ C19H14F2N2O4 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 O 0 0 0 -5.6000 7.2746 0.0000 C 0 0 0 -6.3000 6.0622 0.0000 F 0 0 0 -6.3000 8.4870 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 16 17 1 16 18 1 6 7 1 6 19 2 19 20 1 20 21 2 21 22 1 22 23 2 23 24 1 25 20 1 24 25 2 26 5 1 25 26 1 26 27 2 M END > Z1436758113 > C(C(O)=O)N1C(C=Cc2ccc(cc2)OC(F)F)=Nc2ccccc2C1=O > 58 > 23 > 1 $$$$ C20H16F2N2O5 MOLSOFT 06241911512D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.1000 -3.6373 0.0000 F 0 0 0 -0.0000 -4.8497 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 2 23 24 1 25 3 1 24 25 2 25 26 1 26 27 1 27 28 1 27 29 1 M END > Z1436758131 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OC(F)F > 59 > 24 > 1 $$$$ C20H16F2N2O4 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 O 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 4.2000 2.4249 0.0000 F 0 0 0 6.3000 1.2124 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 18 9 1 18 19 1 19 20 1 20 21 1 20 22 2 17 18 1 17 23 2 6 7 1 24 2 2 6 24 1 5 6 2 5 25 1 25 26 1 26 27 1 26 28 1 M END > Z2111630384 > Cc1ccc(c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1)OC(F)F > 75 > 25 > 1 $$$$ C20H15N3O4 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 -0.7000 -3.6373 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 18 9 1 18 19 1 19 20 1 20 21 1 20 22 2 17 18 1 17 23 2 6 7 1 6 24 1 25 3 1 24 25 2 25 26 1 26 27 3 M END > Z1436757886 > COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1C#N > 46 > 26 > 1 $$$$ C21H17F3N2O5 MOLSOFT 06241911512D 31 33 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 1.2124 -5.5497 0.0000 F 0 0 0 -1.2124 -4.1497 0.0000 F 0 0 0 -0.7000 -6.0622 0.0000 F 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 2 23 24 1 25 3 1 24 25 2 25 26 1 26 27 1 27 28 1 28 29 1 28 30 1 28 31 1 M END > Z1436757286 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OCC(F)(F)F > 12 > 27 > 1 $$$$ C20H15F3N2O4 MOLSOFT 06241911512D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 O 0 0 0 -5.6000 7.2746 0.0000 C 0 0 0 -6.3000 8.4870 0.0000 C 0 0 0 -7.5124 7.7870 0.0000 F 0 0 0 -5.0876 9.1870 0.0000 F 0 0 0 -7.0000 9.6995 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 16 17 1 17 18 1 17 19 1 17 20 1 6 7 1 6 21 2 21 22 1 22 23 2 23 24 1 24 25 2 25 26 1 27 22 1 26 27 2 28 5 1 27 28 1 28 29 2 M END > Z1436757852 > C(C(O)=O)N1C(C=Cc2ccc(cc2)OCC(F)(F)F)=Nc2ccccc2C1=O > 43 > 28 > 1 $$$$ C22H20N2O5 MOLSOFT 06241911512D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 2 23 24 1 25 3 1 24 25 2 25 26 1 26 27 1 27 28 1 28 29 2 M END > Z1436757561 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OCC=C > 25 > 29 > 1 $$$$ C23H22N2O5 MOLSOFT 06241911512D 30 32 0 0 0 0 0 0 0 0999 V2000 -4.2000 -0.0000 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 2 2 4 1 4 5 1 5 6 1 6 7 2 7 8 1 9 10 2 3 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 18 19 1 20 11 1 20 21 1 21 22 1 22 23 1 22 24 2 19 20 1 19 25 2 8 9 1 8 26 2 26 27 1 28 6 1 27 28 2 28 29 1 29 30 1 M END > Z1436758351 > CC(=C)COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OC > 72 > 30 > 1 $$$$ C20H18N2O4 MOLSOFT 06241911512D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 2 6 7 1 7 8 2 9 10 2 3 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 18 19 1 20 11 1 20 21 1 21 22 1 22 23 1 22 24 2 19 20 1 19 25 2 8 9 1 26 4 2 8 26 1 M END > Z1436757654 > CCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 30 > 31 > 1 $$$$ C21H20N2O4 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 11 2 3 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 19 14 1 18 19 2 19 20 1 21 12 1 21 22 1 22 23 1 23 24 1 23 25 2 20 21 1 20 26 2 9 10 1 27 5 2 9 27 1 M END > Z1436757836 > CCCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 40 > 32 > 1 $$$$ C21H20N2O5 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 28 6 2 10 28 1 M END > Z1436757656 > COCCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 31 > 33 > 1 $$$$ C23H24N2O5 MOLSOFT 06241911512D 30 32 0 0 0 0 0 0 0 0999 V2000 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 5 6 1 6 7 2 7 8 1 8 9 2 10 11 2 3 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 19 14 1 18 19 2 19 20 1 21 12 1 21 22 1 22 23 1 23 24 1 23 25 2 20 21 1 20 26 2 9 10 1 9 27 1 28 6 1 27 28 2 28 29 1 29 30 1 M END > Z1436758140 > CCCCOc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1OC > 60 > 34 > 1 $$$$ C22H20N2O6 MOLSOFT 06241911512D 30 32 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 2 29 7 2 28 29 1 4 5 1 4 30 2 M END > Z1436757734 > CCOC(COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1)=O > 36 > 35 > 1 $$$$ C22H19N3O4 MOLSOFT 06241911512D 29 31 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -7.0000 -2.4249 0.0000 N 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 4.9000 -3.6373 0.0000 C 0 0 0 6.3000 -3.6373 0.0000 N 0 0 0 7.0000 -4.8497 0.0000 C 0 0 0 8.4000 -4.8497 0.0000 C 0 0 0 9.1000 -6.0622 0.0000 C 0 0 0 8.4000 -7.2746 0.0000 C 0 0 0 7.0000 -7.2746 0.0000 C 0 0 0 6.3000 -6.0622 0.0000 C 0 0 0 4.9000 -6.0622 0.0000 C 0 0 0 4.2000 -4.8497 0.0000 N 0 0 0 2.8000 -4.8497 0.0000 C 0 0 0 2.1000 -6.0622 0.0000 C 0 0 0 2.8000 -7.2746 0.0000 O 0 0 0 0.7000 -6.0622 0.0000 O 0 0 0 4.2000 -7.2746 0.0000 O 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2 3 1 3 4 3 1 2 1 1 5 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 10 11 2 12 13 2 3 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 18 19 2 19 20 1 21 16 1 20 21 2 21 22 1 23 14 1 23 24 1 24 25 1 25 26 1 25 27 2 22 23 1 22 28 2 11 12 1 29 7 2 11 29 1 M END > Z1436757289 > C(CC#N)COc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1 > 13 > 36 > 1 $$$$ C21H17N3O4 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 3 -3.5000 -1.2124 0.0000 C 0 0 0 -4.9000 -1.2124 0.0000 N 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 2 1 1 3 4 3 2 3 1 2 5 1 5 6 1 6 7 1 7 8 2 8 9 1 10 11 2 3 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 19 14 1 18 19 2 19 20 1 21 12 1 21 22 1 22 23 1 23 24 1 23 25 2 20 21 1 20 26 2 9 10 1 9 27 2 28 6 2 27 28 1 M END > Z1436757672 > CC(C#N)Oc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1 > 33 > 37 > 1 $$$$ C20H15N3O4 MOLSOFT 06241911512D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 O 0 0 0 -2.1000 8.4870 0.0000 C 0 0 0 -1.4000 9.6995 0.0000 C 0 0 0 -0.7000 10.9119 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 16 17 1 17 18 3 6 7 1 6 19 2 19 20 1 20 21 2 21 22 1 22 23 2 23 24 1 25 20 1 24 25 2 26 5 1 25 26 1 26 27 2 M END > Z1436758219 > C(C(O)=O)N1C(C=Cc2cccc(c2)OCC#N)=Nc2ccccc2C1=O > 63 > 38 > 1 $$$$ C26H23N3O4 MOLSOFT 06241911512D 33 36 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -0.0000 -4.8497 0.0000 C 0 0 0 0.7000 -6.0622 0.0000 C 0 0 0 0.0000 -7.2746 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 3 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 16 7 1 16 17 1 17 18 1 18 19 1 18 20 2 15 16 1 15 21 2 4 5 1 4 22 1 22 23 2 23 24 1 25 2 2 23 25 1 25 26 1 26 27 1 27 28 1 28 29 1 29 30 2 30 31 1 31 32 2 33 28 2 32 33 1 M END > Z1436758324 > Cc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(C)c1OCc1ccccn1 > 71 > 39 > 1 $$$$ C21H19ClN2O5 MOLSOFT 06241911512D 29 31 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 Cl 0 0 0 -0.0000 2.4249 0.0000 O 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 7 8 1 7 25 1 26 4 1 25 26 2 26 27 1 5 6 1 5 28 1 28 29 1 M END > Z1436757400 > CCOc1c(cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[Cl])OC > 16 > 40 > 1 $$$$ C20H17ClN2O5 MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 2.4249 0.0000 C 0 0 0 2.1000 3.6373 0.0000 C 0 0 0 2.8000 4.8497 0.0000 C 0 0 0 2.1000 6.0622 0.0000 N 0 0 0 2.8000 7.2746 0.0000 C 0 0 0 2.1000 8.4871 0.0000 C 0 0 0 2.8000 9.6995 0.0000 C 0 0 0 4.2000 9.6995 0.0000 C 0 0 0 4.9000 8.4870 0.0000 C 0 0 0 4.2000 7.2746 0.0000 C 0 0 0 4.9000 6.0622 0.0000 C 0 0 0 4.2000 4.8497 0.0000 N 0 0 0 4.9000 3.6373 0.0000 C 0 0 0 6.3000 3.6373 0.0000 C 0 0 0 7.0000 4.8497 0.0000 O 0 0 0 7.0000 2.4249 0.0000 O 0 0 0 6.3000 6.0622 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 Cl 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 23 24 2 25 3 2 25 26 1 26 27 1 24 25 1 24 28 1 M END > Z1436758297 > COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(c1OC)[Cl] > 67 > 41 > 1 $$$$ C23H23N3O6 MOLSOFT 06241911512D 32 34 0 0 0 0 0 0 0 0999 V2000 -6.3000 -3.6373 0.0000 C 0 0 0 -5.6000 -2.4249 0.0000 C 0 0 0 -4.2000 -2.4249 0.0000 N 0 0 0 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 0.0000 0.0000 O 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 2.4249 0.0000 N 0 0 0 8.4000 2.4249 0.0000 C 0 0 0 9.1000 3.6373 0.0000 C 0 0 0 10.5000 3.6373 0.0000 C 0 0 0 11.2000 2.4249 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 7.0000 0.0000 0.0000 N 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 7.0000 -2.4249 0.0000 C 0 0 0 8.4000 -2.4249 0.0000 O 0 0 0 6.3000 -3.6373 0.0000 O 0 0 0 9.1000 -1.2124 0.0000 O 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 0.7000 -3.6373 0.0000 C 0 0 0 -4.2000 -0.0000 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 5 6 1 6 7 1 7 8 2 8 9 1 9 10 2 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 1 29 7 1 28 29 2 29 30 1 30 31 1 4 5 1 4 32 2 M END > Z1436758299 > CCNC(COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1OC)=O > 68 > 42 > 1 $$$$ C22H16N4O4 MOLSOFT 06241911512D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -4.2000 7.2746 0.0000 O 0 0 0 -5.6000 7.2746 0.0000 C 0 0 0 -6.3000 6.0622 0.0000 C 0 0 0 -7.7000 6.0622 0.0000 N 0 0 0 -8.4000 7.2746 0.0000 C 0 0 0 -7.7000 8.4870 0.0000 C 0 0 0 -6.3000 8.4870 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 14 9 2 13 14 1 12 13 2 12 15 1 15 16 1 16 17 1 17 18 2 18 19 1 19 20 2 21 16 2 20 21 1 6 7 1 6 22 2 22 23 1 23 24 2 24 25 1 25 26 2 26 27 1 28 23 1 27 28 2 29 5 1 28 29 1 29 30 2 M END > Z1436757726 > C(C(O)=O)N1C(C=Cc2ccc(cc2)Oc2cnccn2)=Nc2ccccc2C1=O > 35 > 43 > 1 $$$$ C18H15N3O5 MOLSOFT 06241911512D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.5000 -1.2124 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 O 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 N 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 9.3891 -1.4604 0.0000 C 0 0 0 10.5218 -2.2833 0.0000 C 0 0 0 10.3754 -3.6756 0.0000 C 0 0 0 9.0965 -4.2451 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 4.1269 -5.1305 0.0000 C 0 0 0 5.2596 -5.9534 0.0000 O 0 0 0 2.8480 -5.6999 0.0000 O 0 0 0 6.5385 -5.3839 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 -2.1000 1.2124 0.0000 O 0 0 0 1 2 1 2 3 1 4 5 2 5 6 1 6 7 2 8 9 2 3 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 17 12 1 16 17 2 17 18 1 19 10 1 19 20 1 20 21 1 21 22 1 21 23 2 18 19 1 18 24 2 7 8 1 25 4 1 7 25 1 3 4 1 3 26 2 M END > Z1436758391 > COC(c1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)[nH]1)=O > 73 > 44 > 1 $$$$ C16H11BrN2O3S MOLSOFT 06241911512D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 S 0 0 0 -5.0624 5.7225 0.0000 Br 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 13 9 1 12 13 1 11 12 2 11 14 1 6 7 1 6 15 2 15 16 1 16 17 2 17 18 1 18 19 2 19 20 1 21 16 1 20 21 2 22 5 1 21 22 1 22 23 2 M END > Z1436757218 > C(C(O)=O)N1C(C=Cc2cc(cs2)[Br])=Nc2ccccc2C1=O > 8 > 45 > 1 $$$$ C17H13BrN2O3S MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 N 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 7.9638 3.4222 0.0000 C 0 0 0 9.0965 4.2451 0.0000 C 0 0 0 8.9501 5.6374 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 1.4227 7.6617 0.0000 O 0 0 0 5.1132 7.3457 0.0000 O 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 Br 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 3 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 16 7 1 16 17 1 17 18 1 18 19 1 18 20 2 15 16 1 15 21 2 4 5 1 4 22 1 23 2 2 22 23 1 23 24 1 M END > Z1436757912 > Cc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)sc1[Br] > 47 > 46 > 1 $$$$ C16H11BrN2O3S MOLSOFT 06241911512D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 S 0 0 0 -2.4246 7.2454 0.0000 Br 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 12 14 1 6 7 1 6 15 2 15 16 1 16 17 2 17 18 1 18 19 2 19 20 1 21 16 1 20 21 2 22 5 1 21 22 1 22 23 2 M END > Z1436757948 > C(C(O)=O)N1C(C=Cc2ccc(s2)[Br])=Nc2ccccc2C1=O > 50 > 47 > 1 $$$$ C18H16N2O3S MOLSOFT 06241911512D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 N 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 9.3891 -1.4604 0.0000 C 0 0 0 10.5218 -2.2833 0.0000 C 0 0 0 10.3754 -3.6756 0.0000 C 0 0 0 9.0965 -4.2451 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 4.1269 -5.1305 0.0000 C 0 0 0 5.2596 -5.9534 0.0000 O 0 0 0 2.8480 -5.6999 0.0000 O 0 0 0 6.5385 -5.3839 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 5 6 2 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 16 11 1 15 16 2 16 17 1 18 9 1 18 19 1 19 20 1 20 21 1 20 22 2 17 18 1 17 23 2 6 7 1 24 3 1 6 24 1 M END > Z1436758049 > CCc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)s1 > 54 > 48 > 1 $$$$ C17H15ClN4O3 MOLSOFT 06241911512D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -2.5710 5.8531 0.0000 N 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 Cl 0 0 0 -1.5306 4.9163 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 13 14 1 14 15 1 12 13 1 16 9 2 12 16 1 6 7 1 6 17 2 17 18 1 18 19 2 19 20 1 20 21 2 21 22 1 23 18 1 22 23 2 24 5 1 23 24 1 24 25 2 M END > Z1436757099 > C(C(O)=O)N1C(C=Cc2cnn(CC[Cl])c2)=Nc2ccccc2C1=O > 2 > 49 > 2 $$$$ C22H18N4O3 MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -2.5710 5.8531 0.0000 N 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -4.8362 7.4989 0.0000 C 0 0 0 -5.9688 8.3218 0.0000 C 0 0 0 -5.8225 9.7141 0.0000 C 0 0 0 -4.5435 10.2835 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 13 14 1 14 15 1 15 16 2 16 17 1 17 18 2 19 14 2 18 19 1 12 13 1 20 9 2 12 20 1 6 7 1 6 21 2 21 22 1 22 23 2 23 24 1 24 25 2 25 26 1 27 22 1 26 27 2 28 5 1 27 28 1 28 29 2 M END > Z1436758306 > C(C(O)=O)N1C(C=Cc2cnn(Cc3ccccc3)c2)=Nc2ccccc2C1=O > 69 > 50 > 2 $$$$ C21H16N4O3 MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 C 0 0 0 -4.2000 4.8497 0.0000 C 0 0 0 -3.5000 6.0622 0.0000 C 0 0 0 -2.1000 6.0622 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -1.4000 7.2746 0.0000 N 0 0 0 -1.9694 8.5536 0.0000 C 0 0 0 -0.9290 9.4904 0.0000 C 0 0 0 0.2834 8.7904 0.0000 C 0 0 0 -0.0077 7.4210 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 1 10 11 2 11 12 1 12 13 2 14 9 2 13 14 1 13 15 1 15 16 1 16 17 2 17 18 1 19 15 1 18 19 2 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436757745 > C(C(O)=O)N1C(C=Cc2cccc(c2)n2cccn2)=Nc2ccccc2C1=O > 37 > 51 > 2 $$$$ C21H15FN4O3 MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 N 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 -0.1612 5.2073 0.0000 C 0 0 0 0.2715 6.5388 0.0000 C 0 0 0 1.6409 6.8299 0.0000 C 0 0 0 2.5777 5.7895 0.0000 C 0 0 0 2.1450 4.4580 0.0000 C 0 0 0 0.7756 4.1669 0.0000 C 0 0 0 3.9471 6.0806 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 9 1 12 13 1 13 14 1 14 15 1 15 16 2 16 17 1 19 14 2 18 19 1 17 18 2 17 20 1 6 7 1 6 21 2 21 22 1 22 23 2 23 24 1 24 25 2 25 26 1 27 22 1 26 27 2 28 5 1 27 28 1 28 29 2 M END > Z2111630298 > C(C(O)=O)N1C(C=Cc2ccnn2c2ccc(cc2)F)=Nc2ccccc2C1=O > 74 > 52 > 2 $$$$ C16H14N4O3 MOLSOFT 06241911512D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 N 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -4.5832 6.0003 0.0000 C 0 0 0 -5.0158 7.3318 0.0000 C 0 0 0 -4.0790 8.3722 0.0000 C 0 0 0 -2.7096 8.0811 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 C 0 0 0 -0.9076 6.4585 0.0000 C 0 0 0 -0.4750 5.1271 0.0000 N 0 0 0 0.8944 4.8360 0.0000 C 0 0 0 1.8312 5.8764 0.0000 C 0 0 0 1.3986 7.2079 0.0000 O 0 0 0 3.2006 5.5853 0.0000 O 0 0 0 0.0292 7.4989 0.0000 O 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 2 3 5 6 1 6 7 2 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 15 6 1 15 16 1 16 17 1 17 18 1 17 19 2 14 15 1 14 20 2 3 4 1 3 21 2 21 22 1 23 2 1 22 23 2 M END > Z1436758183 > Cn1c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccn1 > 61 > 53 > 2 $$$$ C15H13N5O3 MOLSOFT 06241911512D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.3903 2.4641 0.0000 C 0 0 0 -0.9791 2.7552 0.0000 C 0 0 0 -1.4118 4.0867 0.0000 C 0 0 0 -2.7812 4.3777 0.0000 N 0 0 0 -3.2138 5.7092 0.0000 C 0 0 0 -4.5832 6.0003 0.0000 C 0 0 0 -5.0158 7.3318 0.0000 C 0 0 0 -4.0790 8.3722 0.0000 C 0 0 0 -2.7096 8.0811 0.0000 C 0 0 0 -2.2770 6.7496 0.0000 C 0 0 0 -0.9076 6.4585 0.0000 C 0 0 0 -0.4750 5.1271 0.0000 N 0 0 0 0.8944 4.8360 0.0000 C 0 0 0 1.8312 5.8764 0.0000 C 0 0 0 1.3986 7.2079 0.0000 O 0 0 0 3.2006 5.5853 0.0000 O 0 0 0 0.0292 7.4989 0.0000 O 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 4 5 2 3 5 6 1 6 7 2 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 13 8 1 12 13 2 13 14 1 15 6 1 15 16 1 16 17 1 17 18 1 17 19 2 14 15 1 14 20 2 3 4 1 3 21 2 21 22 1 23 2 1 22 23 2 M END > Z1436757513 > Cn1c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cnn1 > 21 > 54 > 2 $$$$ C15H13N5O3 MOLSOFT 06241911512D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 N 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 3.2870 1.5229 0.0000 C 0 0 0 3.1407 2.9152 0.0000 C 0 0 0 4.2733 3.7381 0.0000 C 0 0 0 5.5522 3.1687 0.0000 N 0 0 0 6.6849 3.9916 0.0000 C 0 0 0 7.9638 3.4222 0.0000 C 0 0 0 9.0965 4.2451 0.0000 C 0 0 0 8.9501 5.6374 0.0000 C 0 0 0 7.6712 6.2068 0.0000 C 0 0 0 6.5385 5.3839 0.0000 C 0 0 0 5.2596 5.9534 0.0000 C 0 0 0 4.1269 5.1305 0.0000 N 0 0 0 2.8480 5.6999 0.0000 C 0 0 0 2.7016 7.0922 0.0000 C 0 0 0 3.8343 7.9151 0.0000 O 0 0 0 1.4227 7.6617 0.0000 O 0 0 0 5.1132 7.3457 0.0000 O 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 2 5 6 2 3 6 7 1 7 8 2 8 9 1 9 10 2 10 11 1 11 12 2 12 13 1 14 9 1 13 14 2 14 15 1 16 7 1 16 17 1 17 18 1 18 19 1 18 20 2 15 16 1 15 21 2 4 5 1 4 22 1 23 2 1 22 23 2 M END > Z1436758067 > Cn1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)nn1 > 56 > 55 > 2 $$$$ C20H15N5O3 MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -5.0624 5.7225 0.0000 C 0 0 0 -6.1950 4.8996 0.0000 C 0 0 0 -7.4740 5.4690 0.0000 C 0 0 0 -7.6203 6.8613 0.0000 C 0 0 0 -6.4877 7.6842 0.0000 C 0 0 0 -5.2087 7.1148 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 N 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 12 13 1 13 14 2 14 15 1 15 16 2 17 12 2 16 17 1 11 12 1 11 18 1 19 9 1 18 19 2 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436757668 > C(C(O)=O)N1C(C=Cc2cn(c3ccccc3)nn2)=Nc2ccccc2C1=O > 32 > 56 > 2 $$$$ C22H15N3O6 MOLSOFT 06241911512D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 C 0 0 0 0.2796 9.7766 0.0000 N 0 3 0 1.4123 8.9537 0.0000 O 0 5 0 0.4260 11.1689 0.0000 O 0 0 0 -1.5306 4.9163 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 17 19 1 19 20 1 19 21 2 12 13 1 22 9 1 12 22 1 6 7 1 6 23 2 23 24 1 24 25 2 25 26 1 26 27 2 27 28 1 29 24 1 28 29 2 30 5 1 29 30 1 30 31 2 M CHG 2 19 1 20 -1 M END > Z1436757200 > C(C(O)=O)N1C(C=Cc2ccc(c3cccc(c3)[N+]([O-])=O)o2)=Nc2ccccc2C1=O > 7 > 57 > 3 $$$$ C22H15N3O6 MOLSOFT 06241911512D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 C 0 0 0 -0.0130 6.9919 0.0000 N 0 3 0 -0.1594 5.5996 0.0000 O 0 5 0 1.2659 7.5613 0.0000 O 0 0 0 -1.5306 4.9163 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 18 19 1 19 20 1 19 21 2 12 13 1 22 9 1 12 22 1 6 7 1 6 23 2 23 24 1 24 25 2 25 26 1 26 27 2 27 28 1 29 24 1 28 29 2 30 5 1 29 30 1 30 31 2 M CHG 2 19 1 20 -1 M END > Z1436757415 > C(C(O)=O)N1C(C=Cc2ccc(c3ccccc3[N+]([O-])=O)o2)=Nc2ccccc2C1=O > 17 > 58 > 3 $$$$ C23H22N4O5 MOLSOFT 06241911512D 32 35 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 N 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 4.9000 1.2124 0.0000 C 0 0 0 6.3000 1.2124 0.0000 C 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 8.4000 0.0000 0.0000 C 0 0 0 9.1000 1.2124 0.0000 C 0 0 0 10.5000 1.2124 0.0000 C 0 0 0 11.2000 2.4249 0.0000 N 0 0 0 12.6000 2.4249 0.0000 C 0 0 0 13.3000 3.6373 0.0000 C 0 0 0 14.7000 3.6373 0.0000 C 0 0 0 15.4000 2.4249 0.0000 C 0 0 0 14.7000 1.2124 0.0000 C 0 0 0 13.3000 1.2124 0.0000 C 0 0 0 12.6000 0.0000 0.0000 C 0 0 0 11.2000 0.0000 0.0000 N 0 0 0 10.5000 -1.2124 0.0000 C 0 0 0 11.2000 -2.4249 0.0000 C 0 0 0 12.6000 -2.4249 0.0000 O 0 0 0 10.5000 -3.6373 0.0000 O 0 0 0 13.3000 -1.2124 0.0000 O 0 0 0 6.3000 -1.2124 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 N 0 3 0 2.8000 -2.4249 0.0000 O 0 5 0 4.9000 -3.6373 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 1 6 1 1 5 6 1 4 5 1 4 7 1 7 8 2 8 9 1 9 10 2 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 1 29 7 1 28 29 2 29 30 1 30 31 1 30 32 2 M CHG 2 30 1 31 -1 M END > Z1436757566 > C1CCN(CC1)c1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[N+]([O-])=O > 26 > 59 > 4 $$$$ C20H18N4O4S MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 -2.4249 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 N 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 1.2124 -0.7000 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -3.4923 1.3588 0.0000 N 0 0 0 -3.7834 2.7282 0.0000 C 0 0 0 -5.0624 3.2976 0.0000 C 0 0 0 -6.1950 2.4747 0.0000 C 0 0 0 -7.4740 3.0441 0.0000 C 0 0 0 -8.6066 2.2212 0.0000 N 0 0 0 -9.8855 2.7907 0.0000 C 0 0 0 -11.0182 1.9678 0.0000 C 0 0 0 -12.2971 2.5372 0.0000 C 0 0 0 -12.4435 3.9295 0.0000 C 0 0 0 -11.3108 4.7524 0.0000 C 0 0 0 -10.0319 4.1830 0.0000 C 0 0 0 -8.8993 5.0059 0.0000 C 0 0 0 -7.6203 4.4365 0.0000 N 0 0 0 -6.4877 5.2594 0.0000 C 0 0 0 -6.6340 6.6517 0.0000 C 0 0 0 -7.9130 7.2211 0.0000 O 0 0 0 -5.5014 7.4746 0.0000 O 0 0 0 -9.0456 6.3982 0.0000 O 0 0 0 -2.5710 3.4282 0.0000 C 0 0 0 -1.5306 2.4914 0.0000 S 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 1 2 1 4 5 1 6 4 1 5 6 1 3 4 1 3 7 1 7 8 2 8 9 1 10 11 2 3 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 19 14 1 18 19 2 19 20 1 21 12 1 21 22 1 22 23 1 23 24 1 23 25 2 20 21 1 20 26 2 9 10 1 9 27 2 28 7 1 27 28 1 2 3 1 2 29 2 M END > Z1436757115 > CC(N(C1CC1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1)=O > 3 > 60 > 5 $$$$ C19H18N4O4S MOLSOFT 06241911512D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.5000 1.2124 0.0000 C 0 0 0 -2.1000 1.2124 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 N 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -1.4000 4.8497 0.0000 C 0 0 0 -3.5000 3.6373 0.0000 O 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 0.8229 1.2922 0.0000 N 0 0 0 2.1544 1.7249 0.0000 C 0 0 0 3.2870 0.9020 0.0000 C 0 0 0 3.1407 -0.4904 0.0000 C 0 0 0 4.2733 -1.3133 0.0000 C 0 0 0 4.1269 -2.7056 0.0000 N 0 0 0 5.2596 -3.5285 0.0000 C 0 0 0 5.1132 -4.9208 0.0000 C 0 0 0 6.2459 -5.7437 0.0000 C 0 0 0 7.5248 -5.1743 0.0000 C 0 0 0 7.6712 -3.7820 0.0000 C 0 0 0 6.5385 -2.9591 0.0000 C 0 0 0 6.6849 -1.5667 0.0000 C 0 0 0 5.5522 -0.7438 0.0000 N 0 0 0 5.6986 0.6485 0.0000 C 0 0 0 6.9776 1.2179 0.0000 C 0 0 0 8.1102 0.3950 0.0000 O 0 0 0 7.1239 2.6103 0.0000 O 0 0 0 7.9638 -0.9973 0.0000 O 0 0 0 2.1544 3.1249 0.0000 C 0 0 0 0.8229 3.5575 0.0000 S 0 0 0 1 2 1 2 3 1 4 5 1 4 6 2 3 4 1 3 7 1 7 8 2 8 9 1 10 11 2 3 11 12 1 12 13 2 13 14 1 14 15 2 15 16 1 16 17 2 17 18 1 19 14 1 18 19 2 19 20 1 21 12 1 21 22 1 22 23 1 23 24 1 23 25 2 20 21 1 20 26 2 9 10 1 9 27 2 28 7 1 27 28 1 M END > Z1436758310 > CCN(C(C)=O)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1 > 70 > 61 > 5 $$$$ C20H19N5O4 MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 O 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 N 0 0 0 -0.0000 -2.4249 0.0000 C 0 0 0 0.7000 -3.6373 0.0000 N 0 0 0 0.0000 -4.8497 0.0000 C 0 0 0 -1.4000 -4.8497 0.0000 C 0 0 0 -2.1000 -6.0622 0.0000 C 0 0 0 -1.4000 -7.2746 0.0000 C 0 0 0 -2.1000 -8.4870 0.0000 C 0 0 0 -1.4000 -9.6995 0.0000 N 0 0 0 -2.1000 -10.9119 0.0000 C 0 0 0 -1.4000 -12.1244 0.0000 C 0 0 0 -2.1000 -13.3368 0.0000 C 0 0 0 -3.5000 -13.3368 0.0000 C 0 0 0 -4.2000 -12.1244 0.0000 C 0 0 0 -3.5000 -10.9119 0.0000 C 0 0 0 -4.2000 -9.6995 0.0000 C 0 0 0 -3.5000 -8.4870 0.0000 N 0 0 0 -4.2000 -7.2746 0.0000 C 0 0 0 -5.6000 -7.2746 0.0000 C 0 0 0 -6.3000 -8.4871 0.0000 O 0 0 0 -6.3000 -6.0622 0.0000 O 0 0 0 -5.6000 -9.6995 0.0000 O 0 0 0 -2.1000 -3.6373 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 1 6 1 1 5 6 1 6 7 1 7 8 1 8 9 2 9 10 1 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 2 29 7 2 28 29 1 M END > Z1436757449 > C1COCCN1c1ncc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cn1 > 19 > 62 > 6 $$$$ C19H13N3O3S2 MOLSOFT 06241911512D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.4650 8.1822 0.0000 C 0 0 0 -2.8956 9.4611 0.0000 C 0 0 0 -1.5033 9.3148 0.0000 S 0 0 0 -1.2122 7.9454 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 S 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 14 1 14 15 2 15 16 1 17 13 2 16 17 1 12 13 1 18 9 1 12 18 1 6 7 1 6 19 2 19 20 1 20 21 2 21 22 1 22 23 2 23 24 1 25 20 1 24 25 2 26 5 1 25 26 1 26 27 2 M END > Z1436757139 > C(C(O)=O)N1C(C=Cc2cnc(c3ccsc3)s2)=Nc2ccccc2C1=O > 5 > 63 > 7 $$$$ C19H19N3O3S MOLSOFT 06241911512D 26 28 0 0 0 0 0 0 0 0999 V2000 -1.4000 -1.4000 0.0000 C 0 0 0 -1.4000 -0.0000 0.0000 C 0 0 0 -1.4000 1.4000 0.0000 C 0 0 0 -2.8000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 C 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 4.5660 -0.9535 0.0000 C 0 0 0 5.6986 -1.7764 0.0000 C 0 0 0 6.9776 -1.2069 0.0000 N 0 0 0 8.1102 -2.0298 0.0000 C 0 0 0 9.3891 -1.4604 0.0000 C 0 0 0 10.5218 -2.2833 0.0000 C 0 0 0 10.3754 -3.6756 0.0000 C 0 0 0 9.0965 -4.2451 0.0000 C 0 0 0 7.9638 -3.4222 0.0000 C 0 0 0 6.6849 -3.9916 0.0000 C 0 0 0 5.5522 -3.1687 0.0000 N 0 0 0 4.2733 -3.7381 0.0000 C 0 0 0 4.1269 -5.1305 0.0000 C 0 0 0 5.2596 -5.9534 0.0000 O 0 0 0 2.8480 -5.6999 0.0000 O 0 0 0 6.5385 -5.3839 0.0000 O 0 0 0 0.8229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 2 4 1 2 5 1 5 6 2 6 7 1 7 8 2 9 10 2 3 10 11 1 11 12 2 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 18 13 1 17 18 2 18 19 1 20 11 1 20 21 1 21 22 1 22 23 1 22 24 2 19 20 1 19 25 2 8 9 1 26 5 1 8 26 1 M END > Z1436757698 > CC(C)(C)c1ncc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)s1 > 34 > 64 > 7 $$$$ C21H15N3O4 MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 O 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 12 13 1 19 9 1 12 19 2 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436757307 > C(C(O)=O)N1C(C=Cc2coc(c3ccccc3)n2)=Nc2ccccc2C1=O > 14 > 65 > 7 $$$$ C22H17N3O4 MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 7.3407 2.9152 0.0000 C 0 0 0 8.4733 3.7381 0.0000 C 0 0 0 8.3269 5.1305 0.0000 N 0 0 0 9.4596 5.9534 0.0000 C 0 0 0 9.3132 7.3457 0.0000 C 0 0 0 10.4459 8.1686 0.0000 C 0 0 0 11.7248 7.5992 0.0000 C 0 0 0 11.8712 6.2068 0.0000 C 0 0 0 10.7385 5.3839 0.0000 C 0 0 0 10.8849 3.9916 0.0000 C 0 0 0 9.7522 3.1687 0.0000 N 0 0 0 9.8986 1.7764 0.0000 C 0 0 0 11.1776 1.2069 0.0000 C 0 0 0 12.3102 2.0298 0.0000 O 0 0 0 11.3239 -0.1854 0.0000 O 0 0 0 12.1638 3.4222 0.0000 O 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 O 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 2 9 10 1 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 2 29 8 1 28 29 1 M END > Z1436757505 > Cc1ccc(cc1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)co1 > 20 > 66 > 7 $$$$ C20H14N4O3S MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 S 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 N 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 12 13 1 19 9 1 12 19 2 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436757444 > C(C(O)=O)N1C(C=Cc2csc(c3ccccn3)n2)=Nc2ccccc2C1=O > 18 > 67 > 7 $$$$ C21H14ClN3O3S MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 S 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 C 0 0 0 -1.9856 11.4224 0.0000 Cl 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 13 14 1 14 15 2 15 16 1 18 13 2 17 18 1 16 17 2 16 19 1 12 13 1 20 9 1 12 20 2 6 7 1 6 21 2 21 22 1 22 23 2 23 24 1 24 25 2 25 26 1 27 22 1 26 27 2 28 5 1 27 28 1 28 29 2 M END > Z1436757605 > C(C(O)=O)N1C(C=Cc2csc(c3ccc(cc3)[Cl])n2)=Nc2ccccc2C1=O > 28 > 68 > 7 $$$$ C22H17N3O3S MOLSOFT 06241911512D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 2.1000 1.2124 0.0000 C 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 4.2000 0.0000 0.0000 C 0 0 0 5.0229 1.1326 0.0000 N 0 0 0 6.3544 0.7000 0.0000 C 0 0 0 7.4870 1.5229 0.0000 C 0 0 0 7.3407 2.9152 0.0000 C 0 0 0 8.4733 3.7381 0.0000 C 0 0 0 8.3269 5.1305 0.0000 N 0 0 0 9.4596 5.9534 0.0000 C 0 0 0 9.3132 7.3457 0.0000 C 0 0 0 10.4459 8.1686 0.0000 C 0 0 0 11.7248 7.5992 0.0000 C 0 0 0 11.8712 6.2068 0.0000 C 0 0 0 10.7385 5.3839 0.0000 C 0 0 0 10.8849 3.9916 0.0000 C 0 0 0 9.7522 3.1687 0.0000 N 0 0 0 9.8986 1.7764 0.0000 C 0 0 0 11.1776 1.2069 0.0000 C 0 0 0 12.3102 2.0298 0.0000 O 0 0 0 11.3239 -0.1854 0.0000 O 0 0 0 12.1638 3.4222 0.0000 O 0 0 0 6.3544 -0.7000 0.0000 C 0 0 0 5.0229 -1.1326 0.0000 S 0 0 0 1 2 1 2 3 1 3 4 2 4 5 1 7 2 2 6 7 1 5 6 2 5 8 1 8 9 2 9 10 1 11 12 2 3 12 13 1 13 14 2 14 15 1 15 16 2 16 17 1 17 18 2 18 19 1 20 15 1 19 20 2 20 21 1 22 13 1 22 23 1 23 24 1 24 25 1 24 26 2 21 22 1 21 27 2 10 11 1 10 28 2 29 8 1 28 29 1 M END > Z1436757991 > Cc1ccc(cc1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1 > 51 > 69 > 7 $$$$ C21H15N3O3S MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 N 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 S 0 0 0 -5.0624 5.7225 0.0000 C 0 0 0 -6.1950 4.8996 0.0000 C 0 0 0 -7.4740 5.4690 0.0000 C 0 0 0 -7.6203 6.8613 0.0000 C 0 0 0 -6.4877 7.6842 0.0000 C 0 0 0 -5.2087 7.1148 0.0000 C 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 13 9 1 12 13 1 11 12 2 11 14 1 14 15 1 15 16 2 16 17 1 17 18 2 19 14 2 18 19 1 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436758028 > C(C(O)=O)N1C(C=Cc2nc(cs2)c2ccccc2)=Nc2ccccc2C1=O > 53 > 70 > 7 $$$$ C21H15N3O3S MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -2.4246 7.2454 0.0000 C 0 0 0 -3.5573 8.0683 0.0000 C 0 0 0 -3.4109 9.4606 0.0000 C 0 0 0 -2.1320 10.0300 0.0000 C 0 0 0 -0.9993 9.2071 0.0000 C 0 0 0 -1.1457 7.8148 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 S 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 2 13 14 1 14 15 2 15 16 1 16 17 2 18 13 2 17 18 1 12 13 1 19 9 1 12 19 1 6 7 1 6 20 2 20 21 1 21 22 2 22 23 1 23 24 2 24 25 1 26 21 1 25 26 2 27 5 1 26 27 1 27 28 2 M END > Z1436758215 > C(C(O)=O)N1C(C=Cc2cnc(c3ccccc3)s2)=Nc2ccccc2C1=O > 62 > 71 > 7 $$$$ C20H14N2O4 MOLSOFT 06241911512D 26 29 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -4.9958 5.8531 0.0000 C 0 0 0 -4.9958 7.2531 0.0000 C 0 0 0 -3.7834 7.9531 0.0000 C 0 0 0 -2.5710 7.2531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 O 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 12 13 2 13 14 1 14 15 2 16 11 2 15 16 1 17 9 1 16 17 1 6 7 1 6 18 2 18 19 1 19 20 2 20 21 1 21 22 2 22 23 1 24 19 1 23 24 2 25 5 1 24 25 1 25 26 2 M END > Z1436757281 > C(C(O)=O)N1C(C=Cc2cc3ccccc3o2)=Nc2ccccc2C1=O > 11 > 72 > 8 $$$$ C20H13FN2O4 MOLSOFT 06241911512D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 C 0 0 0 -4.9958 5.8531 0.0000 C 0 0 0 -4.9958 7.2531 0.0000 C 0 0 0 -3.7834 7.9531 0.0000 C 0 0 0 -2.5710 7.2531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 O 0 0 0 -6.2083 7.9531 0.0000 F 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 12 13 2 14 15 2 16 11 2 15 16 1 17 9 1 16 17 1 13 14 1 13 18 1 6 7 1 6 19 2 19 20 1 20 21 2 21 22 1 22 23 2 23 24 1 25 20 1 24 25 2 26 5 1 25 26 1 26 27 2 M END > Z1436758071 > C(C(O)=O)N1C(C=Cc2cc3cc(ccc3o2)F)=Nc2ccccc2C1=O > 57 > 73 > 8 $$$$ C19H13ClN4O3 MOLSOFT 06241911512D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4000 0.0000 0.0000 C 0 0 0 -2.1000 -1.2124 0.0000 C 0 0 0 -1.4000 -2.4249 0.0000 O 0 0 0 -3.5000 -1.2124 0.0000 O 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0.7000 1.2124 0.0000 C 0 0 0 -0.0000 2.4249 0.0000 C 0 0 0 -1.4000 2.4249 0.0000 C 0 0 0 -2.1000 3.6373 0.0000 C 0 0 0 -3.4923 3.7836 0.0000 C 0 0 0 -3.7834 5.1531 0.0000 N 0 0 0 -4.9958 5.8531 0.0000 C 0 0 0 -4.9958 7.2531 0.0000 C 0 0 0 -3.7834 7.9531 0.0000 C 0 0 0 -2.5710 7.2531 0.0000 C 0 0 0 -2.5710 5.8531 0.0000 C 0 0 0 -1.5306 4.9163 0.0000 N 0 0 0 -6.2083 7.9531 0.0000 Cl 0 0 0 2.1000 1.2124 0.0000 N 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 4.9000 -1.2124 0.0000 C 0 0 0 4.2000 -2.4249 0.0000 C 0 0 0 2.8000 -2.4249 0.0000 C 0 0 0 2.1000 -1.2124 0.0000 C 0 0 0 0.7000 -1.2124 0.0000 C 0 0 0 -0.0000 -2.4249 0.0000 O 0 0 0 2 3 1 2 4 2 1 2 1 1 5 1 5 6 1 7 8 2 3 8 9 1 9 10 2 10 11 1 11 12 1 12 13 2 14 15 2 16 11 1 15 16 1 17 9 1 16 17 2 13 14 1 13 18 1 6 7 1 6 19 2 19 20 1 20 21 2 21 22 1 22 23 2 23 24 1 25 20 1 24 25 2 26 5 1 25 26 1 26 27 2 M END > Z1436757846 > C(C(O)=O)N1C(C=Cc2cn3cc(ccc3n2)[Cl])=Nc2ccccc2C1=O > 41 > 74 > 9 $$$$ C20H17N5O3 MOLSOFT 06241911512D 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 1.2811 4.8082 0.0000 C 0 0 0 -0.0503 5.2408 0.0000 C 0 0 0 -0.3414 6.6103 0.0000 C 0 0 0 -1.6729 7.0429 0.0000 N 0 0 0 -1.9640 8.4123 0.0000 C 0 0 0 -3.2954 8.8449 0.0000 C 0 0 0 -3.5865 10.2143 0.0000 C 0 0 0 -2.5461 11.1511 0.0000 C 0 0 0 -1.2146 10.7185 0.0000 C 0 0 0 -0.9236 9.3491 0.0000 C 0 0 0 0.4079 8.9164 0.0000 C 0 0 0 0.6990 7.5470 0.0000 N 0 0 0 2.0305 7.1144 0.0000 C 0 0 0 3.0709 8.0512 0.0000 C 0 0 0 2.7798 9.4206 0.0000 O 0 0 0 4.4024 7.6186 0.0000 O 0 0 0 1.4483 9.8532 0.0000 O 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 N 0 0 0 3.2870 -1.5229 0.0000 C 0 0 0 0.8229 -1.1326 0.0000 N 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 23 24 2 25 3 2 24 25 1 25 26 1 26 27 1 28 2 2 26 28 1 M END > Z1436757858 > Cc1c2cc(C=CC3=Nc4ccccc4C(N3CC(O)=O)=O)cnc2n(C)n1 > 44 > 75 > 10 $$$$ C22H17N3O5S MOLSOFT 06241911512D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4000 -0.0000 0.0000 C 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0.8229 1.1326 0.0000 C 0 0 0 0.5318 2.5020 0.0000 C 0 0 0 1.5722 3.4388 0.0000 C 0 0 0 1.2811 4.8082 0.0000 C 0 0 0 -0.0503 5.2408 0.0000 C 0 0 0 -0.3414 6.6103 0.0000 C 0 0 0 -1.6729 7.0429 0.0000 N 0 0 0 -1.9640 8.4123 0.0000 C 0 0 0 -3.2954 8.8449 0.0000 C 0 0 0 -3.5865 10.2143 0.0000 C 0 0 0 -2.5461 11.1511 0.0000 C 0 0 0 -1.2146 10.7185 0.0000 C 0 0 0 -0.9236 9.3491 0.0000 C 0 0 0 0.4079 8.9164 0.0000 C 0 0 0 0.6990 7.5470 0.0000 N 0 0 0 2.0305 7.1144 0.0000 C 0 0 0 3.0709 8.0512 0.0000 C 0 0 0 2.7798 9.4206 0.0000 O 0 0 0 4.4024 7.6186 0.0000 O 0 0 0 1.4483 9.8532 0.0000 O 0 0 0 2.9037 3.0062 0.0000 C 0 0 0 3.1948 1.6368 0.0000 N 0 0 0 2.1544 0.7000 0.0000 C 0 0 0 2.1544 -0.7000 0.0000 S 0 0 0 0.8229 -1.1326 0.0000 C 0 0 0 0.3903 -2.4641 0.0000 C 0 0 0 -0.9791 -2.7552 0.0000 O 0 0 0 1.3271 -3.5045 0.0000 O 0 0 0 0.8944 -4.8360 0.0000 C 0 0 0 1 2 1 2 3 1 3 4 1 4 5 2 6 7 2 3 7 8 1 8 9 2 9 10 1 10 11 2 11 12 1 12 13 2 13 14 1 15 10 1 14 15 2 15 16 1 17 8 1 17 18 1 18 19 1 19 20 1 19 21 2 16 17 1 16 22 2 5 6 1 5 23 1 23 24 2 25 3 2 24 25 1 25 26 1 27 2 2 26 27 1 27 28 1 28 29 2 28 30 1 30 31 1 M END > Z1436757270 > Cc1c2cc(C=CC3=Nc4ccccc4C(N3CC(O)=O)=O)cnc2sc1C(=O)OC > 10 > 76 > 11 $$$$